3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid

C7H13NO3 — CID 138040842

IUPAC3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1(CN)CC(C(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-11-7(4-8)2-5(3-7)6(9)10/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyLNOODGQBHSEFHH-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.18
Rot. Bonds3

About 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid

3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid (PubChem CID 138040842) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid
PubChem CID138040842
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1(CN)CC(C(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-11-7(4-8)2-5(3-7)6(9)10/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyLNOODGQBHSEFHH-UHFFFAOYSA-N
XLogP-0.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Rac-methyl (1s,3s)-3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate hydrochloride
CID 138040148
Tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 146082510
Methyl (1s,3s)-3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
CID 138040149
5-Amino-4-hydroxy-4-methylpentanoic acid
CID 57305958
Methyl 5-amino-4-methoxy-4-methylpentanoate
CID 58426741
3-(Aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride
CID 138040841
Ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride
CID 139016608
Ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 139016609
methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate
CID 143734993
3-(Aminomethyl)-3-hydroxycyclobutane-1-carboxylic acid;hydrochloride
CID 145906136
3-(Aminomethyl)-3-hydroxycyclobutane-1-carboxylic acid
CID 145906137
Tert-butyl 5-amino-4-hydroxy-4-methylpentanoate
CID 160163273

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid (CID 138040842) is 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid is COC1(CN)CC(C(=O)O)C1.
What is the InChIKey of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid?
The InChIKey is LNOODGQBHSEFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(4-8)2-5(3-7)6(9)10/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid?
3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 138040842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).